SCHEMBL83601

SCHEMBL83601

O=C(Nc1ccc(OCCN2CCOCC2)nc1)N(c1ccccc1)c1ncc2c[nH]nc2n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CD38 P28907 2/20 0.39
EPHX2 P34913 5/20 0.38
CASR P41180 1/20 0.38
MTOR P42345 3/20 0.38
PIK3CA P42336 1/20 0.38
CLK2 P49760 1/20 0.37
DYRK1A Q13627 1/20 0.37
AURKB Q96GD4 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL83602 0.89 CD38 (0.44) POLBKDM4ECD38EPHX2CASR
SCHEMBL83204 0.85 CXCR1 (0.38) MEN1KMT2A
SCHEMBL79582 0.84 RAB9A (0.46) MTOR
SCHEMBL83895 0.77 MEN1 (0.42) KDM4EMEN1KMT2A
SCHEMBL82336 0.77 L3MBTL1 (0.47) POLBKDM4EMTORPIK3CADYRK1A
SCHEMBL81569 0.77 KDR (0.46) MEN1KMT2A
SCHEMBL81358 0.76 FLT3 (0.40)
SCHEMBL77812 0.74 NOTUM (0.44) MEN1KMT2A
SCHEMBL79491 0.74 MEN1 (0.42) POLBKDM4EMEN1KMT2A
SCHEMBL83959 0.73 BTK (0.38) POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129371-B2 Thienopyrimidine and pyrazolopyrimidine compounds and their use as mTOR kinase and PI3 kinase inhibitors WYETH LLC (US) 2012-03-06 US disclosed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PIK3CD POLB 1679/4885KDM4E 1987/4885CD38 3679/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.